5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one

C17H12N2O2S — CID 135570014

IUPAC5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc2N1
InChIInChI=1S/C17H12N2O2S/c20-13-4-1-10(2-5-13)17-19-15(9-22-17)11-3-6-14-12(7-11)8-16(21)18-14/h1-7,9,20H,8H2,(H,18,21)
InChIKeyJPFLGPFNVPUOFR-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.68
Rot. Bonds2

About 5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one

5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (PubChem CID 135570014) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
PubChem CID135570014
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc2N1
InChIInChI=1S/C17H12N2O2S/c20-13-4-1-10(2-5-13)17-19-15(9-22-17)11-3-6-14-12(7-11)8-16(21)18-14/h1-7,9,20H,8H2,(H,18,21)
InChIKeyJPFLGPFNVPUOFR-UHFFFAOYSA-N
XLogP3.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (CID 135570014) is 5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc2N1.
What is the InChIKey of 5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is JPFLGPFNVPUOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c20-13-4-1-10(2-5-13)17-19-15(9-22-17)11-3-6-14-12(7-11)8-16(21)18-14/h1-7,9,20H,8H2,(H,18,21).
What are the key properties of 5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 308.36 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 135570014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).